Crystal structure of (2-acetyl­ferrocen-1-yl)boronic acid

(2-Acetyl­ferrocen-1-yl)boronic acid, [Fe(C(5)H(5))(C(7)H(8)BO(3))] or 2-C(O)CH(3)-1-B(OH)(2)–Fc [Fc = Fe(η(5)-C(5)H(3))(η(5)-C(5)H(5))], crystallizes in the centrosymmetric space group P2(1)/n. The boronic acid functionality inter­acts via intra­molecular hydrogen bonds with the acetyl group and wi...

Descripción completa

Detalles Bibliográficos
Autores principales: Preuss, Andrea, Korb, Marcus, Lang, Heinrich
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6362635/
https://www.ncbi.nlm.nih.gov/pubmed/30800465
http://dx.doi.org/10.1107/S2056989019001178
_version_ 1783392959094325248
author Preuss, Andrea
Korb, Marcus
Lang, Heinrich
author_facet Preuss, Andrea
Korb, Marcus
Lang, Heinrich
author_sort Preuss, Andrea
collection PubMed
description (2-Acetyl­ferrocen-1-yl)boronic acid, [Fe(C(5)H(5))(C(7)H(8)BO(3))] or 2-C(O)CH(3)-1-B(OH)(2)–Fc [Fc = Fe(η(5)-C(5)H(3))(η(5)-C(5)H(5))], crystallizes in the centrosymmetric space group P2(1)/n. The boronic acid functionality inter­acts via intra­molecular hydrogen bonds with the acetyl group and with the –B(OH)(2) functionality of an adjacent mol­ecule. The resulting centrosymmetric dimer exhibits an anti-positioning of the ferrocenyl moieties towards the central B(2)O(4) plane. Consequently, an (R(p),S(p))-, i.e. a meso configuration is present for this dimer. In the crystal, weak C—H⋯O hydrogen bonds consolidate the mol­ecular packing.
format Online
Article
Text
id pubmed-6362635
institution National Center for Biotechnology Information
language English
publishDate 2019
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-63626352019-02-22 Crystal structure of (2-acetyl­ferrocen-1-yl)boronic acid Preuss, Andrea Korb, Marcus Lang, Heinrich Acta Crystallogr E Crystallogr Commun Research Communications (2-Acetyl­ferrocen-1-yl)boronic acid, [Fe(C(5)H(5))(C(7)H(8)BO(3))] or 2-C(O)CH(3)-1-B(OH)(2)–Fc [Fc = Fe(η(5)-C(5)H(3))(η(5)-C(5)H(5))], crystallizes in the centrosymmetric space group P2(1)/n. The boronic acid functionality inter­acts via intra­molecular hydrogen bonds with the acetyl group and with the –B(OH)(2) functionality of an adjacent mol­ecule. The resulting centrosymmetric dimer exhibits an anti-positioning of the ferrocenyl moieties towards the central B(2)O(4) plane. Consequently, an (R(p),S(p))-, i.e. a meso configuration is present for this dimer. In the crystal, weak C—H⋯O hydrogen bonds consolidate the mol­ecular packing. International Union of Crystallography 2019-01-29 /pmc/articles/PMC6362635/ /pubmed/30800465 http://dx.doi.org/10.1107/S2056989019001178 Text en © Preuss et al. 2019 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/
spellingShingle Research Communications
Preuss, Andrea
Korb, Marcus
Lang, Heinrich
Crystal structure of (2-acetyl­ferrocen-1-yl)boronic acid
title Crystal structure of (2-acetyl­ferrocen-1-yl)boronic acid
title_full Crystal structure of (2-acetyl­ferrocen-1-yl)boronic acid
title_fullStr Crystal structure of (2-acetyl­ferrocen-1-yl)boronic acid
title_full_unstemmed Crystal structure of (2-acetyl­ferrocen-1-yl)boronic acid
title_short Crystal structure of (2-acetyl­ferrocen-1-yl)boronic acid
title_sort crystal structure of (2-acetyl­ferrocen-1-yl)boronic acid
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6362635/
https://www.ncbi.nlm.nih.gov/pubmed/30800465
http://dx.doi.org/10.1107/S2056989019001178
work_keys_str_mv AT preussandrea crystalstructureof2acetylferrocen1ylboronicacid
AT korbmarcus crystalstructureof2acetylferrocen1ylboronicacid
AT langheinrich crystalstructureof2acetylferrocen1ylboronicacid

Ejemplares similares